Geometry & MOs

Info

ID:	205616
PubChem CID:	80127374
Reduced:	SN2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	289.130049
ΔH_f, kcal/mol:	9.56
Dipole, Da:	3.75
IP(EA), eV:	-8.94(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-[(3,5-dimethylphenyl)methylsulfanyl]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSC(C)C(=N)N)C

DOS

IR

Vibrations